CID 3042565

59971-40-3

Structural Information

Molecular Formula
C11H17N3
SMILES
CCCC1=CC=C(C=C1)N=NN(C)C
InChI
InChI=1S/C11H17N3/c1-4-5-10-6-8-11(9-7-10)12-13-14(2)3/h6-9H,4-5H2,1-3H3
InChIKey
ISNCIPBLANDUNX-UHFFFAOYSA-N
Compound name
N-methyl-N-[(4-propylphenyl)diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 143.4
[M+Na]+ 214.131458 149.6
[M-H]- 190.134964 151.1
[M+NH4]+ 209.176063 164.3
[M+K]+ 230.105398 149.8
[M+H-H2O]+ 174.139500 135.7
[M+HCOO]- 236.140441 174.0
[M+CH3COO]- 250.156091 200.5
[M+Na-2H]- 212.116906 150.8
[M]+ 191.14169142 146.4
[M]- 191.14278858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.